SCHEMBL5310717

SCHEMBL5310717

Cc1ccc(N(C)c2ccc3nc(Nc4cc(C(=O)N5CCC(N(C)C)CC5)ccn4)sc3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
SYK P43405 7/20 0.38
ATR Q13535 1/20 0.37
PROKR1 Q8TCW9 4/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
MAP3K12 Q12852 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
LCK P06239 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5310631 0.95 PROKR1 (0.40) IKBKBCHUKIKBKGSYKATR
SCHEMBL5312760 0.92 PROKR1 (0.37) SYKPROKR1MAP3K12LCK
SCHEMBL14531392 0.90 PROKR1 (0.40) SYKPROKR1MAP3K12
SCHEMBL5417532 0.90 CCNT1 (0.43) CDK2LCK
SCHEMBL5314910 0.89 PROKR1 (0.39) SYKPROKR1MAP3K12
SCHEMBL5312309 0.89 PROKR1 (0.39) SYKPROKR1MAP3K12
SCHEMBL5309762 0.89 MKNK2 (0.39) ATRPROKR1CDK2LCK
SCHEMBL5311872 0.89 CCNT1 (0.44) CCNA2CDK2LRRK2LCK
SCHEMBL5334096 0.87 HCK (0.38) SYKPROKR1
SCHEMBL5312665 0.87 HCK (0.38) SYKPROKR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO claimed
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed